1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-yl-3-prop-1-ynylpyrrolo[2,3-b]pyridine;tert-butyl 4-[1-(benzenesulfonyl)-3-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;ethyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;trimethyl(prop-1-ynyl)silane

C112H125BrN24O14S4Si — CID 160553166

About 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-yl-3-prop-1-ynylpyrrolo[2,3-b]pyridine;tert-butyl 4-[1-(benzenesulfonyl)-3-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;ethyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;trimethyl(prop-1-ynyl)silane

1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-yl-3-prop-1-ynylpyrrolo[2,3-b]pyridine;tert-butyl 4-[1-(benzenesulfonyl)-3-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;ethyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;trimethyl(prop-1-ynyl)silane (PubChem CID 160553166) has the molecular formula C112H125BrN24O14S4Si and a molecular weight of 2267.64 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-yl-3-prop-1-ynylpyrrolo[2,3-b]pyridine;tert-butyl 4-[1-(benzenesulfonyl)-3-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;ethyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;trimethyl(prop-1-ynyl)silane.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-yl-3-prop-1-ynylpyrrolo[2,3-b]pyridine;tert-butyl 4-[1-(benzenesulfonyl)-3-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;ethyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;trimethyl(prop-1-ynyl)silane
• PubChem CID: 160553166
• Molecular Formula: C112H125BrN24O14S4Si
• Molecular Weight: 2267.64 g/mol
• Exact Mass: 2264.76
• IUPAC Name: 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-yl-3-prop-1-ynylpyrrolo[2,3-b]pyridine;tert-butyl 4-[1-(benzenesulfonyl)-3-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;ethyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;trimethyl(prop-1-ynyl)silane
• SMILES: CC#C[Si](C)(C)C.CC#Cc1c(-c2cnn(C)c2)n(S(=O)(=O)c2ccccc2)c2nccc(N3CCN(C(=O)OC(C)(C)C)CC3)c12.CC#Cc1c(-c2cnn(C)c2)n(S(=O)(=O)c2ccccc2)c2nccc(N3CCN(C(=O)OCC)CC3)c12.CC#Cc1c(-c2cnn(C)c2)n(S(=O)(=O)c2ccccc2)c2nccc(N3CCNCC3)c12.Cn1cc(-c2c(Br)c3c(N4CCN(C(=O)OC(C)(C)C)CC4)ccnc3n2S(=O)(=O)c2ccccc2)cn1
• InChI: InChI=1S/C29H32N6O4S.C27H28N6O4S.C26H29BrN6O4S.C24H24N6O2S.C6H12Si/c1-6-10-23-25-24(33-15-17-34(18-16-33)28(36)39-29(2,3)4)13-14-30-27(25)35(26(23)21-19-31-32(5)20-21)40(37,38)22-11-8-7-9-12-22;1-4-9-22-24-23(31-14-16-32(17-15-31)27(34)37-5-2)12-13-28-26(24)33(25(22)20-18-29-30(3)19-20)38(35,36)21-10-7-6-8-11-21;1-26(2,3)37-25(34)32-14-12-31(13-15-32)20-10-11-28-24-21(20)22(27)23(18-16-29-30(4)17-18)33(24)38(35,36)19-8-6-5-7-9-19;1-3-7-20-22-21(29-14-12-25-13-15-29)10-11-26-24(22)30(23(20)18-16-27-28(2)17-18)33(31,32)19-8-5-4-6-9-19;1-5-6-7(2,3)4/h7-9,11-14,19-20H,15-18H2,1-5H3;6-8,10-13,18-19H,5,14-17H2,1-3H3;5-11,16-17H,12-15H2,1-4H3;4-6,8-11,16-17,25H,12-15H2,1-2H3;1-4H3
• InChIKey: QYILJPYWSCJUHG-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 392.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 17
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2267.64
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-yl-3-prop-1-ynylpyrrolo[2,3-b]pyridine;tert-butyl 4-[1-(benzenesulfonyl)-3-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;ethyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;trimethyl(prop-1-ynyl)silane?

The IUPAC name of 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-yl-3-prop-1-ynylpyrrolo[2,3-b]pyridine;tert-butyl 4-[1-(benzenesulfonyl)-3-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;ethyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;trimethyl(prop-1-ynyl)silane (CID 160553166) is 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-yl-3-prop-1-ynylpyrrolo[2,3-b]pyridine;tert-butyl 4-[1-(benzenesulfonyl)-3-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;ethyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;trimethyl(prop-1-ynyl)silane.

What is the SMILES notation for 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-yl-3-prop-1-ynylpyrrolo[2,3-b]pyridine;tert-butyl 4-[1-(benzenesulfonyl)-3-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;ethyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;trimethyl(prop-1-ynyl)silane?

The canonical SMILES for 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-yl-3-prop-1-ynylpyrrolo[2,3-b]pyridine;tert-butyl 4-[1-(benzenesulfonyl)-3-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;ethyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;trimethyl(prop-1-ynyl)silane is CC#C[Si](C)(C)C.CC#Cc1c(-c2cnn(C)c2)n(S(=O)(=O)c2ccccc2)c2nccc(N3CCN(C(=O)OC(C)(C)C)CC3)c12.CC#Cc1c(-c2cnn(C)c2)n(S(=O)(=O)c2ccccc2)c2nccc(N3CCN(C(=O)OCC)CC3)c12.CC#Cc1c(-c2cnn(C)c2)n(S(=O)(=O)c2ccccc2)c2nccc(N3CCNCC3)c12.Cn1cc(-c2c(Br)c3c(N4CCN(C(=O)OC(C)(C)C)CC4)ccnc3n2S(=O)(=O)c2ccccc2)cn1.

What is the InChIKey of 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-yl-3-prop-1-ynylpyrrolo[2,3-b]pyridine;tert-butyl 4-[1-(benzenesulfonyl)-3-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;ethyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;trimethyl(prop-1-ynyl)silane?

The InChIKey is QYILJPYWSCJUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O4S.C27H28N6O4S.C26H29BrN6O4S.C24H24N6O2S.C6H12Si/c1-6-10-23-25-24(33-15-17-34(18-16-33)28(36)39-29(2,3)4)13-14-30-27(25)35(26(23)21-19-31-32(5)20-21)40(37,38)22-11-8-7-9-12-22;1-4-9-22-24-23(31-14-16-32(17-15-31)27(34)37-5-2)12-13-28-26(24)33(25(22)20-18-29-30(3)19-20)38(35,36)21-10-7-6-8-11-21;1-26(2,3)37-25(34)32-14-12-31(13-15-32)20-10-11-28-24-21(20)22(27)23(18-16-29-30(4)17-18)33(24)38(35,36)19-8-6-5-7-9-19;1-3-7-20-22-21(29-14-12-25-13-15-29)10-11-26-24(22)30(23(20)18-16-27-28(2)17-18)33(31,32)19-8-5-4-6-9-19;1-5-6-7(2,3)4/h7-9,11-14,19-20H,15-18H2,1-5H3;6-8,10-13,18-19H,5,14-17H2,1-3H3;5-11,16-17H,12-15H2,1-4H3;4-6,8-11,16-17,25H,12-15H2,1-2H3;1-4H3.

What are the key properties of 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-yl-3-prop-1-ynylpyrrolo[2,3-b]pyridine;tert-butyl 4-[1-(benzenesulfonyl)-3-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;ethyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;trimethyl(prop-1-ynyl)silane?

1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-yl-3-prop-1-ynylpyrrolo[2,3-b]pyridine;tert-butyl 4-[1-(benzenesulfonyl)-3-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;ethyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;trimethyl(prop-1-ynyl)silane has a molecular weight of 2267.64 g/mol, XLogP of 16.26, 17 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-4-piperazin-1-yl-3-prop-1-ynylpyrrolo[2,3-b]pyridine;tert-butyl 4-[1-(benzenesulfonyl)-3-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;tert-butyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;ethyl 4-[1-(benzenesulfonyl)-2-(1-methylpyrazol-4-yl)-3-prop-1-ynylpyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate;trimethyl(prop-1-ynyl)silane is sourced from PubChem (CID 160553166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).